Pyrifenox

RONDO · DORADO · Corado · Korado · NRK 297 · FD 4060 · POLIGROL · Podigrol

Identifikatoren & physikalische Daten

CAS No.	88283-41-4
Summenformel	C14H12Cl2N2O
Durchschnittliche Molmasse	295,2 g/mol
Monoisotopische Masse	294,03266836 g/mol
SMILES	CON=C(Cc1cccnc1)c1ccc(Cl)cc1Cl
InChIKey	CKPCAYZTYMHQEX-UHFFFAOYSA-N
PubChem CID	55790
ChEMBL	CHEMBL1863315
EC No.	618-138-0
DTXSID	DTXSID2042359

XLogP	2,5
Polarare Oberfläche (TPSA)	34,5
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	4
Schwere Atome	19
Formalladung	0
Komplexität	312
Pestizide	FungicidesActive substance -> EU Pesticides database: Not approved
LogP (Verteilungskoeffizient)	2.51
Collision Cross Section	167.08 Å² [M+H]+
Schmelzpunkt	<25℃
Siedepunkt	bp0.1 >150°
Dichte	1.3890 (rough estimate)
Brechungsindex	1.5490 (estimate)
Flammpunkt	145 °C
Lagerbedingungen	0-6°C
Löslichkeit	Chloroform (Slightly), Methanol (Slightly)
pKa (Säurekonstante)	4.76±0.10(Predicted)
Farbe	Yellow
Merck	13,8073
Henry-Konstante	2.3×102 mol/(m3Pa) at 25℃, Ebert et al. (2023)
Hauptanwendungen	agricultureenvironmental
InChI	1S/C14H12Cl2N2O/c1-19-18-14(7-10-3-2-6-17-9-10)12-5-4-11(15)8-13(12)16/h2-6,8-9H,7H2,1H3/b18-14-
InChIKey	CKPCAYZTYMHQEX-JXAWBTAJSA-N
SMILES	CO\N=C(\Cc1cccnc1)c2ccc(Cl)cc2Cl
CAS Datenbank	88283-41-4
EPA chemische Informationen	Pyrifenox (88283-41-4)

GHS-Einstufung	WarningH302 (57.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 66 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	2002/2076
Weitere Sicherheitsinformationen	IMAP assessments - Ethanone, 1-(2,4-dichlorophenyl)-2-(3-pyridinyl)-, O-methyloxime: Environment tier I assessment
Hazard Classes and Categories	Acute Tox. 4 (57.6%)
Wassergefährdungsklasse (WGK)	3
Zollcode	29333990
RTECS-Nr.	KM5772000
R-Sätze (R)	22
Toxizität	LD50 in rats (mg/kg): 950 i.p.2900 orally>5000 dermallyLC50 by inhalation in rats: >2.05 mg/l (Zobrist)
Gefahrensymbole	Xn
Lagerklasse	10 - Combustible liquids
Gefahrenklasse	Acute Tox. 4 Oral

Agricultural fungicide.